SCHEMBL5226252

SCHEMBL5226252

COc1cc2sc(OC(=O)Nc3nnn[nH]3)c(SC3CCCC3)c2cc1OC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.32
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
STK17B O94768 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5225302 0.99 PIK3CD (0.32) PIK3CDPDGFRBPDGFRASTK17B
SCHEMBL5230676 0.94 PIK3CD (0.36) PIK3CD
SCHEMBL5228680 0.93 PIK3CD (0.38) PIK3CD
SCHEMBL5226593 0.90 PIK3CD (0.31) PIK3CD
SCHEMBL5227163 0.88 POLB (0.31) PIK3CDPOLB
SCHEMBL5224808 0.88 MPO (0.37) ALDH1A1MAPT
SCHEMBL5227538 0.87 MPO (0.36) ALDH1A1MAPT
SCHEMBL5225473 0.75 METAP2 (0.38) ALDH1A1MAPT
SCHEMBL5213315 0.73 PDGFRA (0.33) PIK3CDPDGFRAMAPT
SCHEMBL5767040 0.72 PIK3CD (0.39) PIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636212-B1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-06-27 EP claimed